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Boc-D-Dbu (Fmoc) -OH

CAT: 0127-OR1057998-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1057998-01Size:100 mg
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CAS Number
1409939-21-4
MDL Number
MFCD22666113
Purity
97%
Smiles
O=C(O)C[C@@H](NC(OC(C)(C)C)=O)CNC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O

Chemical Information

Boc-D-Dbu(Fmoc)-OH
CAS Number1409939-21-4
PubChem CID75534943
IUPAC Name(3R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Molecular FormulaC24H28N2O6
Molecular Weight440.5
XLogP3.3
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity654
SMILES
CC(C)(C)OC(=O)N[C@H](CC(=O)O)CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H28N2O6/c1-24(2,3)32-23(30)26-15(12-21(27)28)13-25-22(29)31-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20H,12-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)/t15-/m1/s1
InChIKey
FSCCIFFKRBHSLF-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Boc-D-Dbu(Fmoc)-OH
CAS: 1409939-21-4
CID: 75534943
Formula: C24H28N2O6
MW: 440.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.5
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass440.19473662
Monoisotopic Mass440.19473662
Topological Polar Surface Area114 Ų
Heavy Atom Count32
Formal Charge0
Complexity654
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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